Dataset for: "Comprehensive composition of hydrocarbons in National Institute of Standards and Technology Standard Reference Material 2779 Gulf of Mexico crude oil"

GC-amenable C9 – C33 hydrocarbons were comprehensively characterized in the National Institute of Standards and Technology Standard Reference Material (NIST SRM) 2779 Gulf of Mexico crude oil, by gas chromatography coupled to vacuum ultraviolet photoionization mass spectrometry (GC/VUV-MS), with a mass balance of 68 ± 22 %. All observed species are reported as a function of molecular weight (carbon number, NC), structure (number of double bond equivalents, NDBE) and mass fraction (mg kg-1). The NIST SRM 2779 crude oil was collected on May 21, 2010 on the drillship Discoverer Enterprise from the insertion tube receiving oil directly from the Macondo well during response operations (http://www.nist.gov/mml/oil-030612.cfm). The water was separated from the oil and the resulting oil was homogenized before being transferring into 2 mL amber glass ampoules, which are available for purchase directly from NIST (https://www-s.nist.gov/srmors/vie w_detail.cfm?srm=2779).